Molecule

ID:135249

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O₄Zn
Molecular Mass
213.50650968
Exact Mass
211.99376048
Charge
0
InChI
InChI=1S/2C3H6O2.Zn/c2*1-2-3(4)5;/h2*2H2,1H3,(H,4,5);/q;;+2/p-2/i2*2+1;
InChIKey
XDWXRAYGALQIFG-PKOMNEFASA-L
Canonic Smiles
C[13CH2]C(=O)O[Zn]OC(=O)[13CH2]C
Isomeric Smiles
C[13CH2]C(=O)O[Zn]OC(=O)[13CH2]C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.393
LogD (pH = 7.4)
0.393
Log P
0.393
Molar Refractivity
32.686
Polarizability
16.923458
Polar Surface Area
52.6
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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